2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanoyl chloride

Systemtic Name: 2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanoyl chloride Openeye Name: 2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetyl chloride CAS Name: 2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]acetyl chloride IUPAC Name: 2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]acetyl chloride Traditional Name: 2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetyl chloride Formula: C13H18ClN2O+ MolecularWeight: 253.74782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)Cl

InChI

InChI=1S/C13H17ClN2O/c1-11-3-2-4-12(9-11)16-7-5-15(6-8-16)10-13(14)17/h2-4,9H,5-8,10H2,1H3/p+1